N-(2-hydroxyethyl)octadecanamide

• ChemBase编号: 112076
• 分子式: C20H41NO2
• 平均质量: 327.54504
• 单一同位素质量: 327.31372956
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCO
• InChI: InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)
• InChIKey: OTGQIQQTPXJQRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-hydroxyethyl)octadecanamide
• IUPAC传统名: stearoyl-ethanolamine
• 别名: STEARIC ACID MONOETHANOLAMIDE; Stearoyl ethanolamide

登记号

• CAS号: 111-57-9
• EC号: 203-883-2
• MDL号: MFCD00045971
• PubChem SID: 162098209; 24899792
• PubChem CID: 27902

理论计算性质

• Acid pKa: 15.463162
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 5.8723507
• LogD (pH = 7.4): 5.8723516
• Log P: 5.8723516
• 摩尔折射率: 99.2968 cm^3
• 极化性: 39.403164 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: crystalline

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: rat ... Cnr1(25248)

产品相关信息

• 纯度: ≥98%
• Empirical Formula (Hill Notation): C20H41NO2

详细说明

MP Biomedicals - 05222437

MP Biomedicals Rare Chemical collection

Sigma Aldrich - S8439

Biochem/physiol Actions
Most abundant fatty acid ethanolamide produced by PLD hydrolysis of cell membrane phospholipids.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. S8439.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.